Evolution of the NIST Library

nist-library-historyThe tools that scientists need to do their jobs are constantly evolving, and the NIST library is no exception. The most widely used mass spectral reference library is frequently updated with new information that makes it easier than ever for scientists to efficiently and accurately complete their research. Here are some reasons why you should consider upgrading or purchasing the latest NIST library.

More spectra than ever

Today’s NIST library, NIST 14, is much more robust than previous versions. Since the NIST 02 version, the library has expanded to now contain 276,248 El spectra, including 242,466 unique spectra. The library also includes an MS/MS Library that contains 234,284 spectra – 51,216 ion trap spectra for 42,126 different ions of 8,171 compounds, and 183,068 collision cell spectra (qtof and tandem quad) for 14,835 different ions of 7,692 compounds.

An improved retention index

The size of the retention index in NIST 14 has also increased considerably. The original version of the library actually didn’t have retention index data. When the index finally was added, it contained 121,112 index values for 25,893 compounds. Now, however, the library’s retention index contains 387,463 index values for 82,868 compounds, a significant improvement.

Search and AMDIS software enhancements

Since the 02 version, the library has also improved its search and AMDIS software. The NIST MS Search software has been updated for identifying compounds from mass spectra and for browsing the mass spectral library.

The library also includes MS interpretation programs to analyze mass spectra on the basis of chemical structure, molecular formulas, isotopic patterns, and more. In addition, updates have been made to AMDIS software used for deconvoluting gas/liquid chromatograms.

Other updates

Other updated components of the NIST library include the following:

  • Electron ionization mass spectral library – 276,259 spectra of 242,477 unique compounds
  • Gas chromatography data library – 385,872 retention index values for 82,337 compounds
  • Documentation – A 50-page printed and electronic manual on setup and basic usage

With each update the library has improved, making it possible to more accurately identify compounds. Many of the updates actually come from NIST library users. If a lab tests a compound and finds a new spectrum, it can notify the National Institute of Standards and Technology, which will then examine the data and determine if it needs to update the library.

The latest features

The latest version, NIST 14, comes with additional tools and enhanced features, including the ability to search for exact mass—critical for research involving high-resolution mass spectrometry—and more powerful retention index tools, which are essential for determining the identity of unknowns when secondary confirmation is required.

The upgrade also comes with new definitions of derivatives used for finding replicate spectra, and a new MS/MS search for small molecules, including more robust scoring for spectra acquired on imperfectly tuned instruments.

Having the latest data to accurately identify compounds is vital for anyone working in mass spectrometry. NIST 14 gives scientists the most up-to-date spectra, providing them with confidence that they have data they can trust. This not only makes their job easier, it also helps to protect against inaccuracies and potential legal issues.

To order or upgrade your NIST Mass Spectral Library

NISTMassSpecLibrary.com is the best place to get the NIST Mass Spectral Library at an affordable cost. We also provide customer support for any questions or issues you may have. Contact us for more information and to order or upgrade your NIST Mass Spectral Library.